Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

PRASTERONE ACETATE

Unique Identifier:SPE00270029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:1.393  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
Source:semisynthetic
Therapeutics:adrenocortical hormone, antidepressant

Found: 226 active | as graph: single | with analogs [1] << Back 211 212 213 214 215 216 217 218 219 220  Next >> [226]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.7423±0.0233345
Normalized OD Score: sc h 0.8458±0.0229833
Z-Score: -6.2591±0.539285
p-Value: 0.00000000209508
Z-Factor: 0.16551
Fitness Defect: 19.9837
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-08-15 YYYY-MM-DD
Plate CH Control (+):0.04265±0.00087
Plate DMSO Control (-):0.7130000000000001±0.01002
Plate Z-Factor:0.9535
png
ps
pdf

DBLink | Rows returned: 162[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
7076394 [(3S,8R,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
7076395 [(3S,8R,9R,10R,13R,14R,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
7076396 [(3S,8R,9S,10R,13R,14R,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
7079538 ethyl
(3R)-3-[(3S,8S,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate
7079539 ethyl
(3S)-3-[(3S,8S,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate
7079540 ethyl
(3R)-3-[(3S,8S,9R,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate

internal high similarity DBLink | Rows returned: 81 2 Next >> 
SPE00307035 0.9041
BTB 01201 0.9394
NRB 03882 0.9394
SPE00107023 0.9394
SPE00307031 0.9394
BTB 13785 0.9851

active | Cluster 7902 | Additional Members: 9 | Rows returned: 3
SPE01505123 0.435897435897436
SPE01500645 0.276923076923077
SPE01505713 0.205882352941177

Service provided by the Mike Tyers Laboratory